Glycoside
GD116732
Name:
N-Acetyl-Beta-D-Galactosaminyl-(1->3)-Alpha-D-Galactosyl-(1->4)-Beta-D-Galactosyl-(1->4)-Beta-D-Glucosylceramide (D18:1/16:0)Formula:
C60H110O23N2Smiles:
CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.93 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 43 |
| MolWt: | 1227.53 | Num_heavy_atoms: | 85 |
| TPSA: | 402.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD46413
Formula: C34H67O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 10.4 | Num_rotatable_bonds: | 30 |
| MolWt: | 537.91 | Num_heavy_atoms: | 38 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
Sugarmoiety
SD04870
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C2O)OC(CO)C(O)C1O